(E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide

C23H20N2O2 — CID 86967679

IUPAC(E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide
SMILESC#CCOc1ccc(CCNC(=O)/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C23H20N2O2/c1-2-17-27-20-10-7-18(8-11-20)13-15-25-23(26)12-9-19-14-16-24-22-6-4-3-5-21(19)22/h1,3-12,14,16H,13,15,17H2,(H,25,26)/b12-9+
InChIKeySBZUIGXVHAOXJT-FMIVXFBMSA-N
MW356.43 g/mol
LogP3.62
Rot. Bonds7

About (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide

(E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide (PubChem CID 86967679) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide
PubChem CID86967679
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide
SMILESC#CCOc1ccc(CCNC(=O)/C=C/c2ccnc3ccccc23)cc1
InChIInChI=1S/C23H20N2O2/c1-2-17-27-20-10-7-18(8-11-20)13-15-25-23(26)12-9-19-14-16-24-22-6-4-3-5-21(19)22/h1,3-12,14,16H,13,15,17H2,(H,25,26)/b12-9+
InChIKeySBZUIGXVHAOXJT-FMIVXFBMSA-N
XLogP3.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-4,4,4-trifluoro-3-phenyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]but-2-enamide
CID 56507126
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
CID 11326773
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
2-methyl-1-(2-phenylethyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine
CID 111134841
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47085432
4-(4-fluorophenoxy)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 86874580
3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
CID 75512130
(2R)-3-phenyl-2-[[(Z)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
CID 98525818
(2R)-2-ethoxy-N-[2-(4-prop-2-ynoxyphenyl)ethyl]propanamide
CID 94814042
(E)-N-(2-phenylethyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 26913059
N-[2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide
CID 75050400
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-(3-pyridin-4-yloxyphenyl)urea
CID 86940266

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide (CID 86967679) is (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide is C#CCOc1ccc(CCNC(=O)/C=C/c2ccnc3ccccc23)cc1.
What is the InChIKey of (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide?
The InChIKey is SBZUIGXVHAOXJT-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-2-17-27-20-10-7-18(8-11-20)13-15-25-23(26)12-9-19-14-16-24-22-6-4-3-5-21(19)22/h1,3-12,14,16H,13,15,17H2,(H,25,26)/b12-9+.
What are the key properties of (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide?
(E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide has a molecular weight of 356.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-quinolin-4-ylprop-2-enamide is sourced from PubChem (CID 86967679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).